# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78407672
_cell_length_b   8.59586581
_cell_length_c   47.53284745
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe40 P40'
_cell_volume   2363.29264387
_cell_formula_units_Z   40
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.009187  0.607390  0.288887  1
  Fe  Fe2  1  0.008497  0.349044  0.329815  1
  Fe  Fe3  1  0.005414  0.943181  0.304330  1
  Fe  Fe4  1  0.991524  0.679622  0.346272  1
  Fe  Fe5  1  0.494389  0.977404  0.309780  1
  Fe  Fe6  1  0.497765  0.719527  0.353296  1
  Fe  Fe7  1  0.504004  0.579978  0.283982  1
  Fe  Fe8  1  0.513268  0.312981  0.324938  1
  Fe  Fe9  1  0.011749  0.083620  0.376876  1
  Fe  Fe10  1  0.013017  0.818466  0.422058  1
  Fe  Fe11  1  0.994102  0.411017  0.392069  1
  Fe  Fe12  1  0.993852  0.147314  0.437164  1
  Fe  Fe13  1  0.493245  0.450069  0.399561  1
  Fe  Fe14  1  0.493999  0.186125  0.444733  1
  Fe  Fe15  1  0.513980  0.047631  0.368821  1
  Fe  Fe16  1  0.512696  0.779127  0.414563  1
  Fe  Fe17  1  0.012993  0.553341  0.467566  1
  Fe  Fe18  1  0.013010  0.287692  0.512995  1
  Fe  Fe19  1  0.993866  0.881813  0.482688  1
  Fe  Fe20  1  0.993883  0.616164  0.528117  1
  Fe  Fe21  1  0.493895  0.920551  0.490281  1
  Fe  Fe22  1  0.493668  0.654851  0.535756  1
  Fe  Fe23  1  0.513208  0.514654  0.459927  1
  Fe  Fe24  1  0.512981  0.248955  0.505403  1
  Fe  Fe25  1  0.013024  0.022191  0.558519  1
  Fe  Fe26  1  0.012774  0.758488  0.603614  1
  Fe  Fe27  1  0.993859  0.351039  0.573625  1
  Fe  Fe28  1  0.995126  0.085885  0.618807  1
  Fe  Fe29  1  0.494180  0.390378  0.581120  1
  Fe  Fe30  1  0.492895  0.121874  0.626862  1
  Fe  Fe31  1  0.512877  0.983380  0.550950  1
  Fe  Fe32  1  0.513631  0.719436  0.596122  1
  Fe  Fe33  1  0.015352  0.489884  0.649411  1
  Fe  Fe34  1  1.001461  0.226325  0.691354  1
  Fe  Fe35  1  0.998379  0.820461  0.665868  1
  Fe  Fe36  1  0.997689  0.562116  0.706796  1
  Fe  Fe37  1  0.493607  0.856524  0.670745  1
  Fe  Fe38  1  0.502872  0.589527  0.711702  1
  Fe  Fe39  1  0.509111  0.449979  0.642387  1
  Fe  Fe40  1  0.512487  0.192101  0.685903  1
  P  P41  1  0.237645  0.913404  0.343220  1
  P  P42  1  0.249315  0.183586  0.293963  1
  P  P43  1  0.775124  0.121225  0.333321  1
  P  P44  1  0.767895  0.381247  0.284757  1
  P  P45  1  0.261991  0.813727  0.271952  1
  P  P46  1  0.270581  0.545260  0.321334  1
  P  P47  1  0.734938  0.757992  0.309428  1
  P  P48  1  0.737124  0.486016  0.357209  1
  P  P49  1  0.235333  0.380030  0.434102  1
  P  P50  1  0.236234  0.645624  0.388373  1
  P  P51  1  0.771666  0.586074  0.425230  1
  P  P52  1  0.771283  0.852017  0.379660  1
  P  P53  1  0.267850  0.277805  0.365425  1
  P  P54  1  0.272172  0.012546  0.411249  1
  P  P55  1  0.734508  0.218312  0.402294  1
  P  P56  1  0.735552  0.953257  0.447978  1
  P  P57  1  0.235532  0.849244  0.524987  1
  P  P58  1  0.235511  0.114619  0.479461  1
  P  P59  1  0.771364  0.054887  0.516222  1
  P  P60  1  0.771344  0.320262  0.470696  1
  P  P61  1  0.271181  0.747419  0.456785  1
  P  P62  1  0.271514  0.481873  0.502225  1
  P  P63  1  0.735362  0.687632  0.493458  1
  P  P64  1  0.735695  0.422086  0.538898  1
  P  P65  1  0.235593  0.317489  0.616023  1
  P  P66  1  0.235210  0.583431  0.570454  1
  P  P67  1  0.770641  0.523881  0.607310  1
  P  P68  1  0.771543  0.789475  0.561581  1
  P  P69  1  0.271324  0.216248  0.547706  1
  P  P70  1  0.272368  0.951194  0.593389  1
  P  P71  1  0.734703  0.156959  0.584434  1
  P  P72  1  0.739025  0.891701  0.630258  1
  P  P73  1  0.238980  0.788259  0.710926  1
  P  P74  1  0.231751  0.048280  0.662362  1
  P  P75  1  0.757560  0.985919  0.701720  1
  P  P76  1  0.769230  0.256102  0.652464  1
  P  P77  1  0.269751  0.683489  0.638474  1
  P  P78  1  0.271938  0.411513  0.686256  1
  P  P79  1  0.736294  0.624245  0.674349  1
  P  P80  1  0.744884  0.355778  0.723731  1
